6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione

C8H15N5O2 — CID 60871209

IUPAC6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN(CCCN)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O2/c1-2-13(5-3-4-9)6-7(14)10-8(15)12-11-6/h2-5,9H2,1H3,(H2,10,12,14,15)
InChIKeyYIQKFMYRNMBBLW-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.37
Rot. Bonds5

About 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60871209) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID60871209
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN(CCCN)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H15N5O2/c1-2-13(5-3-4-9)6-7(14)10-8(15)12-11-6/h2-5,9H2,1H3,(H2,10,12,14,15)
InChIKeyYIQKFMYRNMBBLW-UHFFFAOYSA-N
XLogP-1.37
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 60871209) is 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione is CCN(CCCN)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YIQKFMYRNMBBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-2-13(5-3-4-9)6-7(14)10-8(15)12-11-6/h2-5,9H2,1H3,(H2,10,12,14,15).
What are the key properties of 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 213.24 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-aminopropyl(ethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).